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BDBM50079795 CHEMBL3414785

SMILES: COc1ccc(cc1)-c1cc(NC(=O)NCP(O)(O)=O)c(s1)C(O)=O

InChI Key: InChIKey=UAQTTWNSQDVXIG-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079795   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50079795
PNG
(CHEMBL3414785)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)NCP(O)(O)=O)c(s1)C(O)=O
Show InChI InChI=1S/C14H15N2O7PS/c1-23-9-4-2-8(3-5-9)11-6-10(12(25-11)13(17)18)16-14(19)15-7-24(20,21)22/h2-6H,7H2,1H3,(H,17,18)(H2,15,16,19)(H2,20,21,22)
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged Pseudomonas aeruginosa PqsD expressed in Escherichia coli BL21 (deltaDE3) using anthraniloyl-CoA/beta-ketodecan...


Eur J Med Chem 96: 14-21 (2015)

More data for this
Ligand-Target Pair